UCSF

ZINC43968622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 5.05 -32.01 2 3 1 29 215.361 7
Hi High (pH 8-9.5) 1.75 4.15 -0.94 1 3 0 24 214.353 7
Mid Mid (pH 6-8) 1.75 6.43 -26.52 2 3 1 26 215.361 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )